Boundary of ecosystem services: A response to.

Chen et al. (2023) have proposed a scheme to define which services should be included as ecosystem services and which should be excluded so as to avoid "an all-encompassing metaphor that captures any benefit". We discuss the proposals, drawing attention in particular to definitions of 'natural capital' and 'ecosystems', the complexities of separating biotic from abiotic flows, and the importance of geodiversity and geosystem services in delivering societal benefits. We conclude that rather than trying to separate out bits of nature in order to draw the boundary of ecosystem services, it is perhaps time to avoid using 'nature' and 'biodiversity' as synonyms and think instead of a more holistic and integrated approach involving 'environmental', 'natural' or 'nature's services', in which the role of abiotic nature is fully recognised in both ecosystem services and non-ecosystem domains.

Hand disinfectants and their activity against clinical isolates of Bordetella pertussis.

OBJECTIVES: The aim of the study was to investigate possible emergence of resistance to disinfectants in Bordetella pertussis strains isolated from patients with whooping cough in the Czech Republic in 2014 and 2015. METHODS: In an EN1500-based study, clean and dry fingertips of volunteers were always contaminated with one of the two clinical isolates of B. pertussis. Clinical isolates of B. pertussis were obtained from the National Reference Laboratory for Pertussis and Diphtheria, National Institute of Public Health (NIPH), Prague, Czech Republic. Dry and contaminated fingertips were immersed in 10 ml medium and then rubbed with the fingers for 1 minute. After that, the hands were treated with isopropanol 60% v/v or tested products, and then the fingertips were rubbed again into 10 ml of pure medium for 1 minute. The suspensions obtained were immediately diluted and plated on charcoal medium. RESULTS: Ethanol-based product A and propanol-based product B showed bactericidal activity after 30 s of contact. The confidence interval limit for product A and B was 0.12 and 0.19, respectively. Quaternary ammonium compound-based product C was found to be ineffective after 30 s of contact. The confidence interval limit for product C was 0.62. CONCLUSION: Products A and B were assessed as effective against clinical isolates of B. pertussis in accordance with EN 1500. Quaternary ammonium compound-based product C did not comply with the requirements of EN 1500.

Charge-Tagged DNA Radicals in the Gas Phase Characterized by UV/Vis Photodissociation Action Spectroscopy.

Adenosine radicals tagged with a fixed-charge group were generated in the gas phase and structurally characterized by tandem mass spectrometry, deuterium labeling, and UV/Vis action spectroscopy. Experimental results in combination with Born-Oppenheimer molecular dynamics, ab initio, and excited-state calculations led to unambiguous assignment of adenosine radicals as N-7 hydrogen atom adducts. The charge-tagged radicals were found to be electronically equivalent to natural DNA nucleoside radicals.

Total and partial electron impact ionization cross sections of fusion-relevant diatomic molecules.

We report calculations of total (and absolute) electron-impact ionization cross sections (EICSs) for the fusion-relevant diatomic molecular species BeH, BeN, BeO, WH, WBe, WN, WO, O2, and N2 by means of the Deutsch-Märk and the binary-encounter-Bethe methods in the energy range from threshold to 10 keV. In addition, we discuss an empirical scheme to estimate partial cross sections from the total ones based on reaction energetics and empirical threshold laws and explore its accuracy by assessing available experimental data on total and partial EICSs. Finally, we also report parameters obtained by fitting the calculated cross sections to an expression commonly used in fusion edge plasma modeling.

BioWes-from design of experiment, through protocol to repository, control, standardization and back-tracking.

BACKGROUND: One of the main challenges in modern science is the amount of data produced by the experimental work; it is difficult to store, organize and share the scientific data and to extract the wealth of knowledge. Experimental method descriptions in scientific publications are often incomplete, which complicates experimental reproducibility. The proposed system was created in order to address these issues. It provides a solution for management of the experimental data and metadata to support the reproducibility. IMPLEMENTATION: The system is implemented as a repository for experiment descriptions and experimental data. It has three main entry points: desktop application for protocol design and data processing, web interface dedicated for protocol and data management, and web-based interface for mobile devices suitable for the field experiments. The functionality of desktop client can be extended using the custom plug-ins for data extraction and data processing. The system provides several methods to support experimental reproducibility: standardized terminology support, data and metadata at a single location, standardized protocol design or protocol evolution. RESULTS AND DISCUSSION: The system was tested in the framework of international infrastructure project AQUAEXCEL with five pilot installations at different institutes. The general testing in Tissue culture certified laboratory, Institute of complex systems and IFREMER verified the usability under different research infrastructures. The specific testing focused on the data processing modules and plug-ins demonstrated the modularity of the system for the specific conditions. The BioWes system represents experimental data as black box and therefore can handle any data type so as to provide broad usability for a variety of experiments and provide the data management infrastructure to improve the reproducibility and data sharing. CONCLUSIONS: The proposed system provides the tools for standard data management operations and extends the support by the standardization possibilities, protocol evolution with visualization features and modularity based on the data processing modules and device communication plug-ins. The software can be used at different organization levels: from a single researcher (to improve data organization) to research consortium through the central protocols management repository. Support from the protocol design until being shared with the standardization features helps to improve the reproducibility of research work. The platform provides support from experimental protocol design to cooperation using simple sharing.

Hydrological variability of middle European peatland during the Holocene, inferred from subfossil bog pine and bog oak dendrochronology and high-resolution peat multiproxy analysis of the Budwity peatland (northern Poland).

Subfossil pine and oak tree trunks were excavated during exploitation of the Budwity peatland in Northern Poland. Based on dendrochronological analysis, the woodland successions in peatland were reconstructed and correlated with moisture dynamics of the peatland ecosystem inferred from the high-resolution multi-proxy analysis of the peatland deposits. From the results of dendrochronological analysis and the 14C wiggle matching methods, four floating pine chronologies (5882-5595; 5250-5089; 3702-3546; and 2222-1979 mod. cal BP) and two oak chronologies (4932-4599 and 4042-3726 mod. cal BP) were developed. The organic sediments of the peatland (6 m thick) were deposited over approximately nine thousand years. The lower complex (525-315 cm) comprises minerogenic peat, while the upper complex (315.0-0.0 cm) is composed of ombrogenic peat. Subfossil tree trunks are distributed across various peat horizons, which suggests multiple stages of tree colonisation followed by subsequent dying-off phases. Multiproxy sediment analyses (lithological, geochemical and δ13C stable isotope, pollen, plant macrofossils, Cladocera, diatom, and Diptera analyses) indicate that the two earliest phases of pine colonisation (5882-5595 and 5250-5089 mod. cal BP) and the two stages of oak colonisation (4932-4599 and 4042-3726 mod. cal BP) were associated with periodic drying of the peatland. Conversely, tree dying-off phases occurred during periods of increased water levels in the peatland, coinciding with stages of increasing climate humidity during the Holocene. The two most recent phases of pine colonisation occurred during the ombrogenic stage of mire development. Remnants of the dead forest from these phases, marked by subfossil trunks still rooted in the ground, were preserved and exposed presently during peat exploitation, approximately 2.5 m below ground level. The identified phases of tree colonisation and subsequent dying-off phases show correlation with analogical phenomena observed in the other investigated European peatlands.

Isolation of bitter acids from hops (Humulus lupulus L.) using countercurrent chromatography.

Commercially available hops (Humulus lupulus L.) bitter acid extracts contain a mixture of three major congeners (co-, n-, and ad-) in addition to cis/trans diastereomers for each congener. Individual isomerized α-acids were obtained by the consecutive application of two separate countercurrent chromatography methods. First, individual isomerized α-acid congeners as a mixture of cis/trans diastereomers were obtained using a solvent system consisting of hexane and aqueous buffer. The second purification, capable of separating cis/trans diastereomers, was accomplished using a quaternary solvent system; an alternative procedure using ß-cyclodextrin followed by countercurrent chromatography was also investigated. The NaBH(4) reduction of the purified isomerized α-acid compounds followed by countercurrent chromatography purification resulted in individual ρ iso α-acids (>95%). Similarly, catalytic hydrogenation of the purified isomerized α-acid compounds followed by countercurrent chromatography purification produced individual tetrahydro isomerized α-acids (>95%). Reported herein is a widely applicable approach that focuses on three critical variables--solvent system composition, pH, and buffer-to-sample ratio--that enable the efficient purification of individual bitter acids (≥95%) from commercially available hops extracts.

The COVID-19 crisis does not diminish environmental motivation: Evidence from two panel studies of decision making and self-reported pro-environmental behavior.

The literature shows that threats unrelated to environmental problems can shift attention away from these problems and affect pro-environmental behavior. It is not clear whether the COVID-19 crisis that started in 2019 had any uniform effect on pro-environmental behavior and decision making. In two preregistered panel studies conducted before and during the first COVID wave (n1 = 206, n2 = 164) and before and during the second COVID wave (n3 = n4 = 260), we found that the crisis had had no uniform effect on pro-environmental behaviors, environmental attitude, nor on the behavioral costs of general pro-environmental behavior. Analysis of one specific pro-environmental behavior, the choice of environmentally friendly delivery of products, revealed that the general preference for green delivery services and heightened preference for green delivery services among people with higher attitude levels remained unchanged by the COVID-19 crisis. Thus, if the COVID-19 crisis has had any effects on pro-environmental behaviors, these effects are probably fragmented, specific to certain population segments, and not visible in the short-term perspective.

Environmental Attitudes in 28 European Countries Derived From Atheoretically Compiled Opinions and Self-Reports of Behavior.

People differ in their personal commitment to fighting climate change and protecting the environment. The question is, can we validly measure people's commitment by what they say and what they claim they do in opinion polls? In our research, we demonstrate that opinions and reports of past behavior can be aggregated into comparable depictions of people's personal commitment to fighting climate change and protecting the environment (i.e., their environmental attitudes). In contrast to the commonly used operational scaling approaches, we ground our measure of people's environmental attitudes in a mathematically formalized psychological theory of the response process-the Campbell paradigm. This theory of the response process has already been extensively validated, and its relevance for manifest behavior has repeatedly been shown as well. In our secondary analysis of Eurobarometer data (N = 27,998) from 28 European countries, we apply the Campbell paradigm to a set of indicators that was not originally collected to be aggregated into a single scale. With our research, we propose a distinct way to measure behavior-relevant environmental attitudes that can be used even with a set of indicators that was originally atheoretically compiled. Overall, our study suggests that the Campbell paradigm provides a sound psychological measurement theory that can be applied to cross-cultural comparisons in the environmental protection domain.

Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors.

Because of their central role in programmed cell death, the caspases are attractive targets for developing new therapeutics against cancer and autoimmunity, myocardial infarction and ischemic damage, and neurodegenerative diseases. We chose to target caspase-3, an executioner caspase, and caspase-8, an initiator caspase, based on the vast amount of information linking their functions to diseases. Through a structure-based drug design approach, a number of novel beta-strand peptidomimetic compounds were synthesized. Kinetic studies of caspase-3 and caspase-8 inhibition were carried out with these urazole ring-containing irreversible peptidomimetics and a known irreversible caspase inhibitor, Z-VAD-fmk. Using a stopped-flow fluorescence assay, we were able to determine individual kinetic parameters of caspase-3 and caspase-8 inhibition by these inhibitors. Z-VAD-fmk and the peptidomimetic inhibitors inhibit caspase-3 and caspase-8 via a three-step kinetic mechanism. Inhibition of both caspase-3 and caspase-8 by Z-VAD-fmk and of caspase-3 by the peptidomimetic inhibitors proceeds via two rapid equilibrium steps followed by a relatively fast inactivation step. However, caspase-8 inhibition by the peptidomimetics goes through a rapid equilibrium step, a slow-binding reversible step, and an extremely slow inactivation step. The crystal structures of inhibitor complexes of caspases-3 and -8 validate the design of the inhibitors by illustrating in detail how they mimic peptide substrates. One of the caspase-8 structures also shows binding at a secondary, allosteric site, providing a possible route to the development of noncovalent small molecule modulators of caspase activity.

In vitro synergistic effects of baicalin with oxytetracycline and tetracycline against Staphylococcus aureus.

OBJECTIVES: In this study we examined the in vitro synergistic effect of baicalin, the flavone constituent of Scutellaria spp., in combinations with oxytetracycline and tetracycline on the growth of Staphylococcus aureus. METHODS: The MICs were determined by the broth microdilution method and the effect of combinations was evaluated according to the sum of fractional inhibitory concentration indices (FICIs). RESULTS: Synergistic activity (FICI  ≤  0.5) was observed for combinations of baicalin with oxytetracycline or tetracycline against 4 of 10 strains tested, whereas the baicalin/oxytetracycline combination possessed the strongest synergistic effect (FICI = 0.418). CONCLUSIONS: Baicalin acts synergistically with oxytetracycline and tetracycline, enhancing its antimicrobial activity against S. aureus, including methicillin- and tetracycline-resistant strains.

Cytotoxicity and secondary metabolites production in terrestrial Nostoc strains, originating from different climatic/geographic regions and habitats: is their cytotoxicity environmentally dependent?

Extensive selection of cyanobacterial strains (82 isolates) belonging to the genus Nostoc, isolated from different climatic regions and habitats, were screened for both their secondary metabolite content and their cytotoxic effects to mammalian cell lines. The overall occurrence of cytotoxicity was found to be 33%, which corresponds with previously published data. However, the frequency differs significantly among strains, which originate from different climatic regions and microsites (particular localities). A large fraction of intensely cytotoxic strains were found among symbiotic strains (60%) and temperate and continental climatic isolates (45%); compared with the less significant incidences in strains originating from cold regions (36%), deserts (14%), and tropical habitats (9%). The cytotoxic strains were not randomly distributed; microsites that clearly had a higher occurrence of cytotoxicity were observed. Apparently, certain natural conditions lead to the selection of cytotoxic strains, resulting in a high cytotoxicity occurrence, and vice versa. Moreover, in strains isolated from a particular microsite, the cytotoxic effects were caused by different compounds. This result supports our hypothesis for the environmental dependence of cytotoxicity. It also contradicts the hypothesis that clonality and lateral gene transfer could be the reason for this phenomenon. Enormous variability in the secondary metabolites was detected within the studied Nostoc extracts. According to their molecular masses, only 26% of these corresponded to any known structures; thus, pointing to the high potential for the use of many terrestrial cyanobacteria in both pharmacology and biotechnology.

The Role of CX3CL1 and ADAM17 in Pathogenesis of Diffuse Parenchymal Lung Diseases.

Fractalkine (CX3CL1) is a unique chemokine that functions as a chemoattractant for effector cytotoxic lymphocytes and macrophages expressing fractalkine receptor CX3CR1. CX3CL1 exists in two forms-a soluble and a membrane-bound form. The soluble CX3CL1 is released from cell membranes by proteolysis by the TNF-α-converting enzyme/disintegrin-like metalloproteinase 17 (TACE/ADAM17) and ADAM10. In this study, we evaluated the diagnostic relevance and potential roles of CX3CL1 and ADAM17 in the pathogenesis of diffuse parenchymal lung diseases (DPLDs) in the human population. The concentration of CX3CL1 and ADAM17 was measured by the enzyme-linked immunosorbent assay (ELISA) test in bronchoalveolar lavage fluids of patients suffering from different DPLDs. The concentration of CX3CL1 was significantly higher in patients suffering from idiopathic pulmonary fibrosis (IPF) and hypersensitivity pneumonitis patients compared to the control group. A significantly higher concentration of CX3CL1 was measured in fibrotic DPLDs compared to non-fibrotic DLPD patients. We found a positive correlation of CX3CL1 levels with the number of CD8+ T cells, and a negative correlation with CD4+ T cells in BALF and diffusion capacity for carbon monoxide. The concentration of ADAM17 was significantly lower in the IPF group compared to the other DPLD groups. We noticed a significantly higher CX3CL1/ADAM17 ratio in the IPF group compared to the other DPLD groups. We suggest that CX3CL1 has a distinctive role in the pathogenesis of DPLDs. The level of CX3CL1 strongly correlates with the severity of lung parenchyma impairment. The results suggest that high values of CX3CL1/ADAM17 could be diagnostic markers for IPF.

Expertomica metabolite profiling: getting more information from LC-MS using the stochastic systems approach.

UNLABELLED: Mass spectrometers are sophisticated, fine instruments which are essential in a variety applications. However, the data they produce are usually interpreted in a rather primitive way, without considering the accuracy of this data and the potential errors in identifying peaks. Our new approach corrects this situation by dividing the LC-MS output into three components: (i) signature of the analyte, (ii) random noise and (iii) systemic noise. The systemic noise is related to the instrument and to the particular experiment; its characteristics change in time and depend on the analyzed substance. Working with these components allows us to quantify the probability of peak errors and, at the same time, to retrieve some peaks which get lost in the noise when using the existing methods. Our software tool, Expertomica metabolite profiling, automatically evaluates the given instrument, detects compounds and calculates the probability of individual peaks. It does not need any artificial user-defined parameters or thresholds. AVAILABILITY: MATLAB scripts with a simple graphical user interface are free to download from http://sourceforge.net/projects/expertomica-eda/. The software reads data exported by most Thermo and Agilent spectrometers, and it can also read the more general JCAMP-DX ASCII format. Other formats will be supported on request, assuming that the user can provide representative data samples.

Optimization of alpha-ketoamide based p38 inhibitors through modifications to the region that binds to the allosteric site.

We have optimized a novel series of potent p38 MAP kinase inhibitors based on an alpha-ketoamide scaffold through structure based design that due to their extended molecular architecture bind, in addition to the ATP site, to an allosteric pocket. In vitro ADME, in vivo PK and efficacy studies show these compounds to have drug-like characteristics and have resulted in the nomination of a development candidate which is currently in phase II clinical trials for the oral treatment of inflammatory conditions.

Formation and fragmentation of the tungsten clusters in gas phase.

We present a theoretical study of accumulation of clusters consisting of up to 100 tungsten atoms based on information extracted from molecular dynamics trajectory simulations. The description is based on the rates corresponding to the single W atom attachment to Wn clusters and their dissociation processes. The results display a strong Arrhenius dependence of the dissociation rate constant on temperature. The preferred products of dissociation of the clusters composed of more than ten atoms are single W atoms and fragments with six to nine atoms. On the other hand, the association rate constants depend weakly on temperature. The obtained rate constants are used to calculate the chemical equilibrium of the W clusters that results in significant traces of small clusters only at high initial W atoms concentrations.

Anti-HIV-1 entry optimization of novel imidazopiperidine-tropane CCR5 antagonists.

A novel series of imidazopiperidine-tropane CCR5 antagonists is described. The series was optimized for anti-HIV-1 potency using a set of phenotypic viral entry assays. This strategy resulted in the identification of several very potent (IC(50)<10nM) inhibitors of HIV-1 entry. One compound (40) was further profiled and was found to have attractive selectivity, pharmacokinetic, and antiviral properties.

2,5-Diaminopyrimidines and 3,5-disubstituted azapurines as inhibitors of glycogen synthase kinase-3 (GSK-3).

The discovery of two classes of pyrimidine-based inhibitors of GSK-3 is described. Optimization of these series led to inhibitors with IC(50)<10nM and >100-fold selectivity over Aurora A kinase. A proposed binding mode of 21b is presented. One compound (33) of the pyrimidine series showed promising pharmacokinetic parameters.

[Maternal serum Th1 and Th2 cytokines in preterm and term delivery]. / Stezenie wybranych interleukin grupy Th1 i Th2 w surowicy krwi matek w porodzie przedwczesnym i porodzie o czasie.

UNLABELLED: The immune system is responsible for the development of a typical pregnancy, including the induction of labor. OBJECTIVES: The aim of our study was to determine the concentration of maternal serum Th1 and Th2 cytokines, which have opposite biological effects, in preterm and term labor. MATERIAL AND METHODS: 88 patients were divided into four groups: normal pregnancy (n = 20), threatened preterm labor (n = 22), preterm delivery (n = 24) and term delivery (n = 22). Maternal serum interleukins 1, 6, 8 and 10 were measured with ELISA R&D Systems kits (USA). In all patients CRP was estimated and the blood specimen were analyzed using an automated hematology cell analyzer. RESULTS: Women in term and preterm delivery group had significantly higher mean IL-beta, IL-6 and IL-8 concentrations than patients in normal pregnancy and these with threatened preterm labor. In addition, the highest WBC and CRP concentration were found in women in preterm delivery compared with other groups. CONCLUSIONS: Maternal serum Th1 cytokines concentrations increase in preterm and term delivery. Determination of maternal serum IL-6, IL-8 and IL-10 may play an essential role in estimations of the preterm labor risk.